SCHEMBL197784

SCHEMBL197784

COC(=O)c1ccc(C2(c3nc(COS(C)(=O)=O)cs3)CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 13/20 0.51
F2 P00734 1/20 0.41
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16603270 0.87 F2RL3 (0.50) F2RL3F2ALDH1A1HPGDALOX15
SCHEMBL197538 0.87 F2RL3 (0.50) F2RL3F2PKMALDH1A1HPGD
SCHEMBL15348964 0.85 F2RL3 (0.50) F2RL3F2PKMALDH1A1HPGD
SCHEMBL25933890 0.81 F2RL3 (0.45) F2RL3F2ALDH1A1HPGDALOX15
SCHEMBL2700450 0.79 F2RL3 (0.46) F2RL3F2ALDH1A1HPGDALOX15
SCHEMBL28939076 0.77 MAPT (0.52) PKMALDH1A1HPGDHSD17B10TSHR
SCHEMBL2700254 0.75 SIRT5 (0.44) F2RL3ALDH1A1HPGDALOX15MGLL
SCHEMBL15349177 0.75 F2RL3 (0.41) F2RL3F2POLB
SCHEMBL199139 0.74 CYP19A1 (0.44) F2RL3ALDH1A1HPGDKMT2A
SCHEMBL196627 0.73 F2RL3 (0.42) F2RL3ALDH1A1HPGDALOX15MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 F2RL3 2800/4885F2 4813/4885PKM 1086/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 F2RL3 2800/4885F2 4813/4885PKM 1086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.